[1,1'-Biphenyl]-2-carboxylic acid, 6'-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2',3',4,4',5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-

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  • Identifiers

    CAS number
    144207-58-9

    Molecular formula
    C36H32O21

    SMILES
    C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)OC5CC(CC(C5O)O)(C(=O)O)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.22%
    Phenolic 29.45%
    Burnt 20.27%
    Balsamic 18.99%
    Savory 17.14%
    Milky 15.89%
    Vanilla 15.46%
    Smoky 15.14%
    Bitter 14.37%
    Clean 13.26%

     

    Flavor
    Bitter 87.33%
    Odorless 42.58%
    Bland 36.59%
    Sweet-like 25.43%
    Very mild 22.4%
    Mild 20.08%
    Cedarleaf 19.75%
    Parsley 18.98%
    Eugenol 18.93%
    Lovage 18.88%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    5.72 (weak acid)

    Molecular weight
    800.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    6521°C

    Flash point

    • 318.89 ˚C est.

  • Synonyms

    • 144207-58-9
    • [1,1'-Biphenyl]-2-carboxylic acid, 6'-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2',3',4,4',5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-
    • SCHEMBL28872430
    • DTXSID101098160
    • [1,1a(2)-Biphenyl]-2-carboxylic acid, 6a(2)-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2a(2),3a(2),4,4a(2),5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-
    • 144207-58-9

  • Applications

    The compound [1,1'-Biphenyl]-2-carboxylic acid, 6'-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2H-1-benzopyran-2-yl]-2',3',4,4',5,6-hexahydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R)-, CAS number: 144207-58-9, is commonly explored as an antioxidant and stabilizer additive in polymer and plastics formulations; it may serve as an intermediate in pharmaceutical or fine-chemical synthesis; in coatings and inks, it can function as a polyphenolic stabilizer or functional additive; in cosmetics and personal care, it may act as an antioxidant component or formulation stabilizer.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.8
    methanol 10.98
    isopropanol 2.46
    water 0.2
    ethyl acetate 2.94
    n-propanol 4.39
    acetone 6.01
    n-butanol 1.93
    acetonitrile 1.35
    DMF 155.03
    toluene 0.16
    isobutanol 1.11
    1,4-dioxane 23.77
    methyl acetate 5.76
    THF 33.23
    2-butanone 5.31
    n-pentanol 0.64
    sec-butanol 2.13
    n-hexane 0.01
    ethylene glycol 27.21
    NMP 82.93
    cyclohexane 0.01
    DMSO 111.68
    n-butyl acetate 0.54
    n-octanol 1.05
    chloroform 0.45
    n-propyl acetate 0.91
    acetic acid 39.34
    dichloromethane 0.69
    cyclohexanone 3.08
    propylene glycol 34.98
    isopropyl acetate 1.23
    DMAc 110.43
    2-ethoxyethanol 53.3
    isopentanol 0.64
    n-heptane 0.01
    ethyl formate 4.66
    1,2-dichloroethane 0.56
    n-hexanol 0.27
    2-methoxyethanol 197.02
    isobutyl acetate 0.18
    tetrachloromethane 0.05
    n-pentyl acetate 1.23
    transcutol 45.84
    n-heptanol 0.84
    ethylbenzene 0.05
    MIBK 0.54
    2-propoxyethanol 19.83
    tert-butanol 1.34
    MTBE 0.96
    2-butoxyethanol 13.17
    propionic acid 8.99
    o-xylene 0.11
    formic acid 69.01
    diethyl ether 1.41
    m-xylene 0.08
    p-xylene 0.04
    chlorobenzene 0.07
    dimethyl carbonate 10.65
    n-octane 0.01
    formamide 70.85
    cyclopentanone 11.77
    2-pentanone 2.45
    anisole 0.86
    cyclopentyl methyl ether 2.37
    gamma-butyrolactone 25.19
    1-methoxy-2-propanol 89.27
    pyridine 5.76
    3-pentanone 1.64
    furfural 23.0
    n-dodecane 0.01
    diethylene glycol 33.44
    diisopropyl ether 0.11
    tert-amyl alcohol 1.51
    acetylacetone 7.12
    n-hexadecane 0.01
    acetophenone 0.92
    methyl propionate 6.8
    isopentyl acetate 0.29
    trichloroethylene 1.31
    n-nonanol 1.06
    cyclohexanol 0.79
    benzyl alcohol 1.28
    2-ethylhexanol 0.13
    isooctanol 0.42
    dipropyl ether 0.81
    1,2-dichlorobenzene 0.07
    ethyl lactate 3.92
    propylene carbonate 4.27
    n-methylformamide 50.29
    2-pentanol 0.73
    n-pentane 0.01
    1-propoxy-2-propanol 10.18
    1-methoxy-2-propyl acetate 4.59
    2-(2-methoxypropoxy) propanol 9.17
    mesitylene 0.03
    ε-caprolactone 6.14
    p-cymene 0.04
    epichlorohydrin 18.04
    1,1,1-trichloroethane 0.11
    2-aminoethanol 29.74
    morpholine-4-carbaldehyde 140.0
    sulfolane 46.73
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.72
    n-hexyl acetate 1.51
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 17.5
    sec-butyl acetate 0.39
    tert-butyl acetate 1.26
    decalin 0.0
    glycerin 145.62
    diglyme 38.4
    acrylic acid 16.11
    isopropyl myristate 0.38
    n-butyric acid 6.0
    acetyl acetate 1.67
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 1.3
    nitromethane 67.08
    1,2-diethoxyethane 4.21
    benzonitrile 0.29
    trioctyl phosphate 0.48
    1-bromopropane 0.14
    gamma-valerolactone 85.59
    n-decanol 0.61
    triethyl phosphate 0.52
    4-methyl-2-pentanol 0.18
    propionitrile 0.92
    vinylene carbonate 4.51
    1,1,2-trichlorotrifluoroethane 42.04
    DMS 2.13
    cumene 0.02
    2-octanol 0.49
    2-hexanone 0.64
    octyl acetate 0.89
    limonene 0.06
    1,2-dimethoxyethane 42.82
    ethyl orthosilicate 0.49
    tributyl phosphate 0.39
    diacetone alcohol 7.13
    N,N-dimethylaniline 0.63
    acrylonitrile 2.4
    aniline 1.0
    1,3-propanediol 31.68
    bromobenzene 0.04
    dibromomethane 0.18
    1,1,2,2-tetrachloroethane 1.22
    2-methyl-cyclohexyl acetate 0.31
    tetrabutyl urea 1.1
    diisobutyl methanol 0.09
    2-phenylethanol 0.52
    styrene 0.06
    dioctyl adipate 1.05
    dimethyl sulfate 23.19
    ethyl butyrate 0.78
    methyl lactate 27.21
    butyl lactate 3.28
    diethyl carbonate 0.52
    propanediol butyl ether 17.62
    triethyl orthoformate 1.19
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 2.59
    morpholine 42.36
    tert-butylamine 0.26
    n-dodecanol 0.34
    dimethoxymethane 62.05
    ethylene carbonate 2.88
    cyrene 11.73
    2-ethoxyethyl acetate 5.37
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 2.1
    dibutyl ether 0.65
    2,6-dimethyl-4-heptanol 0.09
    DEF 11.14
    dimethyl isosorbide 9.12
    tetrachloroethylene 0.67
    eugenol 3.46
    triacetin 4.39
    span 80 8.32
    1,4-butanediol 5.58
    1,1-dichloroethane 0.21
    2-methyl-1-pentanol 0.26
    methyl formate 32.65
    2-methyl-1-butanol 0.91
    n-decane 0.02
    butyronitrile 0.54
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.11
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 2.35
    tetrahydropyran 3.13
    tert-amyl methyl ether 1.07
    2,5,8-trioxanonane 22.65
    1-hexene 0.03
    2-isopropoxyethanol 11.72
    2,2,2-trifluoroethanol 13.63
    methyl butyrate 1.82

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction